N-(4-bromanyl-3-methyl-phenyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-13-11-14(8-9-17(13)22)23-19(26)12-25-21(27)16-6-3-2-5-15(16)20(24-25)18-7-4-10-28-18/h2-11H,12H2,1H3,(H,23,26)